Narcotine, sulfate (1:1), tetrahydrate
TL;DR: Narcotine, sulfate (1:1), tetrahydrate (CAS 6035-36-5) is a chemical compound with molecular formula C21H16BrN3O6 and molecular weight 485.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[[3-bromo-5-methoxy-4-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
Also Known As: Narcotine, sulfate (1:1), tetrahydrate, BIM-0049849.P001, (4Z)-4-[[3-bromo-5-methoxy-4-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one, 4-{3-bromo-5-methoxy-4-[(4-methyl-2-oxido-1,2,5-oxadiazol-3-yl)methoxy]benzylidene}-2-phenyl-1,3-oxazol-5(4H)-one, (4Z)-4-({3-Bromo-5-methoxy-4-[(4-methyl-2-oxo-1,2lambda~5~,5-oxadiazol-3-yl)methoxy]phenyl}methylidene)-2-phenyl-1,3-oxazol-5(4H)-one
| Molecular Formula | C21H16BrN3O6 |
|---|---|
| Molecular Weight | 485.02 g/mol |
| LogP | 3.31102 |
| Topological Polar Surface Area | 110.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.02225 |
| Heavy Atoms | 31 |
| Complexity | 1183.8242 |
Chemical Identifiers
| CAS Number | 6035-36-5 |
|---|---|
| SMILES | CC1=NO[N+](=C1COC2=C(C=C(C=C2Br)/C=C\3/C(=O)OC(=N3)C4=CC=CC=C4)OC)[O-] |
Product Overview
Narcotine, sulfate (1:1), tetrahydrate (CAS 6035-36-5), with molecular formula C21H16BrN3O6 and molecular weight 485.02 g/mol. IUPAC: (4Z)-4-[[3-bromo-5-methoxy-4-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.
Chemical Property Profile of Narcotine, sulfate (1:1), tetrahydrate
Property Insights of Narcotine, sulfate (1:1), tetrahydrate
The XLogP value of 3.31102 indicates that Narcotine, sulfate (1:1), tetrahydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Narcotine, sulfate (1:1), tetrahydrate. Following Lipinski's Rule of Five, Narcotine, sulfate (1:1), tetrahydrate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Narcotine, sulfate (1:1), tetrahydrate?
The CAS number of Narcotine, sulfate (1:1), tetrahydrate is 6035-36-5.
What is the molecular formula of Narcotine, sulfate (1:1), tetrahydrate?
The molecular formula of Narcotine, sulfate (1:1), tetrahydrate is C21H16BrN3O6.
What is the molecular weight of Narcotine, sulfate (1:1), tetrahydrate?
The molecular weight of Narcotine, sulfate (1:1), tetrahydrate is 485.02 g/mol.
Where can I buy Narcotine, sulfate (1:1), tetrahydrate?
You can request a quote for Narcotine, sulfate (1:1), tetrahydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Narcotine, sulfate (1:1), tetrahydrate?
Yes, KEHONG BIO provides custom synthesis services for Narcotine, sulfate (1:1), tetrahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.